3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane

C16H25N3O — CID 18432727

IUPAC3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCC(C)COc1cncc(N2CC3CCC(C2)NC3)c1
InChIInChI=1S/C16H25N3O/c1-12(2)11-20-16-5-15(7-17-8-16)19-9-13-3-4-14(10-19)18-6-13/h5,7-8,12-14,18H,3-4,6,9-11H2,1-2H3
InChIKeyGVCVNOVCOYAROA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.30
Rot. Bonds4

About 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane

3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 18432727) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
PubChem CID18432727
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCC(C)COc1cncc(N2CC3CCC(C2)NC3)c1
InChIInChI=1S/C16H25N3O/c1-12(2)11-20-16-5-15(7-17-8-16)19-9-13-3-4-14(10-19)18-6-13/h5,7-8,12-14,18H,3-4,6,9-11H2,1-2H3
InChIKeyGVCVNOVCOYAROA-UHFFFAOYSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
CID 22045886
3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane
CID 91456410
3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 91081660
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 90729487
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
5-(2-methylpropoxy)pyrimidine
CID 58125465
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
3-[5-(3,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridinyl]-3,6-diazabicyclo[3.2.1]octane
CID 70991114
3-[5-(3-chloro-4-fluorocyclohexa-1,5-dien-1-yl)-3-pyridinyl]-3,6-diazabicyclo[3.2.1]octane
CID 89166013
3-(5-methoxy-3-pyridinyl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134791445

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane (CID 18432727) is 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane is CC(C)COc1cncc(N2CC3CCC(C2)NC3)c1.
What is the InChIKey of 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is GVCVNOVCOYAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)11-20-16-5-15(7-17-8-16)19-9-13-3-4-14(10-19)18-6-13/h5,7-8,12-14,18H,3-4,6,9-11H2,1-2H3.
What are the key properties of 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane?
3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 275.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpropoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 18432727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).